Related papers: Ab initio investigation of intermolecular interact…
We present a way to dramatically accelerate Gaussian process models for interatomic force fields based on many-body kernels by mapping both forces and uncertainties onto functions of low-dimensional features. This allows for automated…
We derive the equation of motion for a Bose-Einstein condensate of photons in a dye-microcavity system, starting from Maxwell's equations. Our theory takes into account mirror shape, Kerr-type intensity-dependent refractive index and…
The dynamics of a (quasi)one-dimensional interacting atomic Bose-Einstein condensate in a tilted optical lattice is studied in a discrete mean-field approximation, i.e., in terms of the discrete nonlinear Schr\"odinger equation. If the…
We demonstrate the ability of a stabilized finite element method, inspired by the weighted Nitsche approach, to alleviate spurious traction oscillations at interlaminar interfaces in multi-ply multi-directional composite laminates. In…
The nonlinear diffusion in multicomponent liquids under chemical reactions influence has been studied. The theory is applied to the analysis of mass transfer in a solution of acetone-benzene. It has been shown, that the creation of…
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…
Cadmium selenide (CdSe) is an inorganic semiconductor with unique optical and electronic properties that made it useful in various applications, including solar cells, light-emitting diodes, and biofluorescent tagging. In order to…
We consider the three-dimensional (3D) mean-field model for the Bose-Einstein condensate (BEC), with a 1D nonlinear lattice (NL), which periodically changes the sign of the nonlinearity along the axial direction, and the harmonic-oscillator…
We study the collision dynamics of two Bose-Einstein condensates with their dynamical wave functions modeled by a set of coupled, time-dependent Gross-Pitaevskii equations. Beginning with an effective one-dimensional system, we identify…
A high precision determination of the strong coupling constant in the MS-bar scheme at the Z-mass scale, using low energy quantities, namely pion/kaon decay constants and masses, as experimental input is presented. The computation employs…
Several research groups have recently reported {\em ab initio} calculations of the melting properties of metals based on density functional theory, but there have been unexpectedly large disagreements between results obtained by different…
For the first time primary hot isotope distributions are experimentally reconstructed in intermediate heavy ion collisions and used with antisymmetrized molecular dynamics (AMD) calculations to determine density, temperature and symmetry…
An exactly solvable model describing the low density limit of the spin-1 bosons in a one-dimensional optical lattice is proposed. The exact Bethe ansatz solution shows that the low energy physics of this system is described by a quantum…
We investigate the dynamical instability of Bose-Einstein condensates (BECs) with higher-order interactions immersed in an optical lattice with weak driving harmonic potential. For this, we compute both analytically and numerically a…
The dynamical properties of a tracer or impurity particle immersed in a host gas of inelastic and rough hard spheres in the homogeneous cooling state is studied. Specifically, the breakdown of energy equipartition as characterized by the…
Arguments are presented that the reaction products of central high energy nuclear collisions up to collider energies can rigorously be interpreted in terms of a continuous decoupling mechanism based on continuous equations of motion. The…
We present an approximate method for calculating the electrostatic free energy of concentrated protein solutions. Our method uses a cell model and accounts for both the coulomb energy and the entropic cost of Donnan salt partitioning. The…
Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…
The transport coefficients of a dilute gas of inelastic hard spheres immersed in a molecular gas are determined. We assume that the number density of the granular gas is much smaller than that of the surrounding molecular gas, so that the…
Motional Stark effect (MSE) spectroscopy represents a unique diagnostic tool capable of determining the magnitude of the magnetic field and its direction in the core of fusion plasmas. The primary excitation channel for fast hydrogen atoms…